[1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-oxidanyl-4-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-oxidanyl-4-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 2-hydroxy-4-(2-thienylsulfonylamino)benzoate CAS Name: 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoic acid [1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylanilino)-1-oxopropan-2-yl] 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 2-hydroxy-4-(2-thienylsulfonylamino)benzoic acid [2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H22N2O6S2 MolecularWeight: 474.54988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CS3)O

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CS3)O

InChI

InChI=1S/C22H22N2O6S2/c1-3-15-6-8-16(9-7-15)23-21(26)14(2)30-22(27)18-11-10-17(13-19(18)25)24-32(28,29)20-5-4-12-31-20/h4-14,24-25H,3H2,1-2H3,(H,23,26)